5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

C16H15BrN2O — CID 107981813

IUPAC5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1Br
InChIInChI=1S/C16H15BrN2O/c1-9-3-2-4-12(15(9)17)16(18)10-5-6-13-11(7-10)8-14(20)19-13/h2-7,16H,8,18H2,1H3,(H,19,20)
InChIKeySFYPYQFVMYAPJE-UHFFFAOYSA-N
MW331.21 g/mol
LogP3.30
Rot. Bonds2

About 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one

5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (PubChem CID 107981813) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
PubChem CID107981813
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
SMILESCc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1Br
InChIInChI=1S/C16H15BrN2O/c1-9-3-2-4-12(15(9)17)16(18)10-5-6-13-11(7-10)8-14(20)19-13/h2-7,16H,8,18H2,1H3,(H,19,20)
InChIKeySFYPYQFVMYAPJE-UHFFFAOYSA-N
XLogP3.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[amino-(2-fluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 81477151
5-[amino-(2-bromophenyl)methyl]-1,3-dihydroindol-2-one
CID 43197937
6-[(2-bromo-3-methylphenyl)-chloromethyl]-3,4-dihydro-1H-quinolin-2-one
CID 107983452
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-[1-amino-2-(2-methylphenyl)ethyl]-1,3-dihydroindol-2-one
CID 43197980
5-[amino-(2,6-difluoro-3-methylphenyl)methyl]-1,3-dihydroindol-2-one
CID 82796773
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
6-[amino-(5-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 65308230
6-[amino-(4-bromo-2-methylphenyl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43629721
(2-bromo-3-methylphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanamine
CID 107981824
5-[amino-(4,5-dibromothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 80536215

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one (CID 107981813) is 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is Cc1cccc(C(N)c2ccc3c(c2)CC(=O)N3)c1Br.
What is the InChIKey of 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is SFYPYQFVMYAPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c1-9-3-2-4-12(15(9)17)16(18)10-5-6-13-11(7-10)8-14(20)19-13/h2-7,16H,8,18H2,1H3,(H,19,20).
What are the key properties of 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 331.21 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(2-bromo-3-methylphenyl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 107981813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).